waters_connect 4.5.0 Release Overview

waters_connect Base offering comprises of platform Services, utility tools and core applications such as Hub, Administration, Scientific Library, Data view and Conversion for general system use.

Versions released

waters_connect 4.5.0 includes core services and applications such as Services 7.17.0, Hub 4.3.1, Administration 2.12.1, MS ToolKit 1.20.0, DataConvert 5.0.0

Benefits

Key benefits in Core

• Increased Lab operational efficiency and reduced infrastructure cost of ownership for waters_connect Network with introduction of Infrastructure as a Service (IaaS)
• Optimization of system administrator tasks with broader Data management and quality improvements in the Database Manager, including a more efficient backup methodology.

• Compatibility with the most recent Network hardware options available on the market.

• Automating workstation clean installs and upgrades with a utility tool that seamlessly looks after the software installation process.

• Enabling a third-party application to connect to multi-instances of waters_connect workstation and/or network deployments.

• Improved product quality and stability by addressing high impact software anomalies.

Key benefits in Data View

• Addition of a Compact Mode, which simplifies the visualization of both chromatograms and spectra and facilitates speed to data review

• Usability improvements, including

  • Distance tool snaps to data points

  • Persist last folder location in file browsers

  • Addition of a link scrolling toggle between chromatograms and spectra

Key benefits Data Conversion

• Improved data conversion speed and quality of results with:

  • GPU-enabled peak processing mechanism that generates .mzML up to 3.5x faster

  • Improved deconvolution algorithm offering more reliable results for Isotope3D deconvolution results for Pseudo DDA and component text file output when using Peptide data.

waters_connect Acquisition Kit comprises of Sample Submission, Method Editor and Laboratory Network Device applications. This kit enables data acquisition with third party GC instruments and Waters instrument systems used with waters_connect Quantitative analysis software, such as Xevo TQ-S cronos, Xevo TQ-S micro, Xevo TQ-XS, Xevo TQ Absolute and Xevo TQ Absolute XR & accurate mass applications with Xevo G2-XS QTof, Xevo G3 QTof, Xevo MRT, Xevo MRT P10, Xevo CDMS, BioAccord LC-MS System and ACQUITY RDa Detector.

Versions released

waters_connect 4.5.0 is compatible with Acquisition Kit 3.6.0

Acquisition Kit 3.6.0 is the latest release and includes waters_connect applications such as Sample Submission 2.11.0, Method Editor 4.8.0 and LND 1.27.0.

Benefits

Key Benefits in Acquisition Kit 3.6.0 include:

This release introduces enhancements across the Acquisition Kit to improve workflow flexibility.

• Enabled review and approval workflows in regulated environments by adding support for generating PDF reports of sample lists.

• Improved flexibility and productivity by allowing users to add, modify, or delete samples in running acquisitions and resubmit changes without recreating the acquisition.

• Extend instrument systems configuration capabilities with support for Xevo TQ Absolute XR with LockSpray/low flow ESI probe and ACQUITY M-Class, and compatibility of Evosep Eno LC across Xevo MRT, Xevo MRT P10 and Xevo TQ Absolute XR.

• Added support for deleting custom plates.

waters_connect MS Quan application is a quantitative analysis software available on our core Xevo tandem quadrupole family of mass spectrometers and the Xevo MRT Product Range (only for Tof MRM acquisition types). It enables routine small-molecule quantitation and accelerates quantitation data processing and review steps with exception-focused review and easy-to-view chromatogram windows for multiple samples.

Versions released

waters_connect 4.5.0 is compatible with MS Quan 2.6.0 & MS Quan 3.0.0.

Benefits

Key Benefits in MS Quan 3.0 include: 

MS Quan 3.0 introduces machine learning for peak integration. 

The knowledge of your laboratory experts is captured in a trained method and can be applied to future data.  This provides: 

• Reduced manual review time, and increased laboratory productivity and throughput 

• Standardised peak integration and improved consistency 

• Improve confidence in quantitative results 

• Full traceability and audit trailed compliance 

Other enhancements in MS Quan 3.0: 

• Recording of larger and smaller sample factors enabled to allow greater flexibility in adjusting concentrations using user-defined factors and divisors.

• Analyte sorting options introduced to allow both alphanumeric and method order sorting of tables and chromatograms 

Key Benefits in MS Quan 2.6.0 include:

MS Quan 2.6 now includes custom calculations providing the flexibility to define user specified calculations within processing methods to support analytical needs.  This provides:

·       Increased review speed​ as calculations run automatically and update in real-time with changes to the batch

·       Greater control of calculations​ by bringing external Excel calculations into compliance control with full audit and edit permission for calculations.

·       Reduced Risk​ by removing the need for validated Excel sheets. Changes to the method are tracked and audited.

·       Calculated values and results can be printed to pdf or exported to LIMS via csv or API.

Includes a new by injection pivot is available for the data summary page allowing customers to visualize the analytes in an injection when this is a more appropriate view of the data.

In addition, data export to csv can now be configured to integrate directly with downstream integration specifications.

waters_connect UNIFI application enables the execution of accurate mass experiments ranging from Small Molecules to Biologics. Moreover, it provides access to core applications such as System Console, Device Management, Explorer, and Qualification for general system use.

Versions released

waters_connect 4.5.0 is compatible with UNIFI 3.19.0

Benefits

Key Benefits in UNIFI 3.19.0 include accurate mass workflow improvements, such as:

• Accurate Mass Screening (DDA) with more reliable peak identification, ion ratio calculations, common neutral loss searches, and common fragment assignment.

• The ability to process the MSE data set acquired using Mixed Mode on the Xevo MRT Systems.

• Improved small molecule accurate mass data processing workflows with more robust drift time plots and calculations for SELECT SERIES Cyclic IMS and Cyclic IMS P20. Introducing support for multipass calibration capabilities for Cyclic IMS P20.

• More robust MassLynx data import handling.

• Enhanced event logging for clearer tracking of abort actions.

• Resolved concurrency issues when running multiple UNIFI utility applications simultaneously.

The waters_connect Pattern Analysis application increases data clarity in complex assays and enhances the confidence in identifying contaminants, such as polymers, PFAS and PCBs.

Versions released

waters_connect 4.5.0 is compatible with Pattern Analysis 1.1.0.

Benefits

Key Benefits in Pattern Analysis 1.1.0 include:

• Ability to process MS data that has been acquired together with PDA data.

• Introduce the ability to Create, Clone, Delete and Select Pattern Analysis methods.

• Ability to specify a m/z range for data processing and detect monomer sequences based on the specified mass range.

• Components can be banked and unbanked from the Component List table.

• Enable library searching to be performed with respect to retention time in addition to mass.

• Filtered components can be exported as a Pattern Analysis library.

• Ability to change the default assignment when multiple targets are assigned to a component.

*Note: Application has not yet been validated with SONAR Pulse data types

waters_connect Peptide Multi-Attribute Monitoring (MAM) application enables monitoring of biopharmaceutical product quality attributes (PQA) at the peptide level.

Versions released

waters_connect 4.5.0 is compatible with Peptide MAM 1.8.3.

Benefits

Key Benefits in Peptide MAM 1.8.3 include:

• General maintenance release

• Defect fixes

waters_connect Intact Mass application enables biologics mass confirmation and purity determination of oligonucleotides, peptides, protein and conjugates.

Versions released

waters_connect 4.5.0 is compatible with Intact Mass 1.9.0.

Benefits

Key Benefits in Intact Mass 1.9.0 include:

• Automated Calculations of DAR and Drug Distribution for Conjugated Molecule Analysis - users can now deploy a BioAccord System, Xevo G3 QTof, or Xevo MRT QTof to analyze conjugated molecules, specifying the conjugate and its mass in the Intact Mass data processing parameters, and have the calculation of Drug Antibody Ratio and distribution of conjugate forms automatically performed from the acquired data.

• Controls for manual adjustments of chromatographic integration - users can now manually adjust chromatographic peak integration and associated peak identification results and use those reintegrated peaks to direct the processing of mass spectral data.

• Sample List Entry of Chemical Formula - users can now specify a ‘Chemical formula for deconvolution’ that will be used to refine the deconvolution isotope model, improving deconvolution mass accuracy and quantification.

• Updated Sample List Column ‘Expected Masses’ changed to ‘Expected Masses and/or Chemical Formulas’ - users now can enter targets as numeric masses, as chemical formulas, or a mixture of both.

• New Method option within ‘Specify calculation parameters’, allowing the user more control over the ‘Main Peak Retention Time Window’ to improve main peak identification in Optical Only and Variant Analysis workflows

• Bioprocessing workflow: Additional sample list columns for Time Point and Dilution Factor that facilitates processing time series trending data (in bioprocess monitor or in third party solutions) and dilution factor to enable clearer results visualization and trending.

• Application compatibility with data management.

waters_connect Synthetic Library supports the Confirm Sequence and Map Sequence applications for oligo sequencing and mapping workflows.

Versions released

waters_connect 4.5.0 is compatible with Synthetic Library 2.0.0.

Benefits

Key Benefits in Synthetic Library 2.0.0 include:

• Support for oligo mapping workflow - new enzymes and polynucleotides sections

• Multiple library support including user access controls

waters_connect Confirm Sequence enables streamlined oligonucleotide sequence confirmation and impurity characterization workflow.

Versions released

waters_connect 4.5.0 is compatible with Confirm Sequence 2.1.1

Benefits

Key Benefits in Confirm Sequence 2.1.1 include:

• General maintenance release

• Defect fixes

waters_connect Map Sequence enables accurate mass mapping of digested oligonucleotides.

Versions released

waters_connect 4.5.0 is compatible with Map Sequence 2.0.0.

Benefits

Key Benefits in Map Sequence 2.0.0 include:

• Supported by Synthetic Library for sequence entry and experimental planning

• Oligo mapping and sequence confirmation using LCMSE precursor and fragment data

• Interactive annotated chromatogram

• Interactive coverage map for simple visualization of sequence coverage and navigation to supporting data

• Drill-down to fragment analysis

• Dynamic pass-fail filtering and acceptance criteria for investigation and curation of results

• Integrated reporting

The waters_connect Bioprocess Monitor application enables routine, in-process monitoring of spent media components and product titer via absolute and relative quantification using LC/UV, LC/MS & LC-UV/MS techniques.

Versions released

waters_connect 4.5.0 is compatible with Bioprocess Monitor 1.2.0.

Benefits

Key benefits in Bioprocess Monitor 1.2.0 include:

• Analytical Capability - Expanded detection with FLR support to enhance sensitivity and confidence in measurements

• Compliance - Support for GMP environments with role-based restrictions and action comments

• Connectivity - Scalable deployment enabled through waters_connect network support

• Global Access - Improved usability with Japanese localisation

The waters_connect CDMS Toolkit application empowers customers to unlock the full potential of Xevo CDMS by enabling access to real-time data acquisition, native analysis, and advanced visualization, streamlining workflows and accelerating insights into large, complex biomolecules.

Versions released

waters_connect 4.5.0 is compatible with CDMS Toolkit 1.0.0.

Benefits

Key benefits in CDMS Toolkit 1.0.0 include:

• Enables native analysis of large protein assemblies and multi-subunit complexes, including tools for assessing molecular weight, purity, and heterogeneity.

• Real-time display of mass, mass-to-charge, and charge spectra, along with corresponding 2-dimensional heatmaps.

• Raw data review for pre-acquired and live acquisition.

• Relative quantitation analysis to determine quantities of user defined targets.

• Application compatibility with data management.

The MS Imaging application with waters_connect control enables customers to generate molecular spatial information directly from surfaces using the DESI XS Xevo MRT MS system solution. The integration of DESI XS with Xevo MRT MS enables high spatial resolution, label-free molecular imaging directly from sample surfaces with minimal preparation, offering highly sensitive MS Imaging at speeds of up to 100 Hz, with sub-ppm mass accuracy, making it ideal for applications in biomedical research, drug distribution studies, and forensic analysis.

Versions released

waters_connect 4.5.0 is compatible with MS Imaging 1.1.0 in combination with Xevo MRT v1.7.1 and Xevo MRT P10 v1.7.1 drivers.

Benefits

Key benefits in MS Imaging 1.1.0 include:

• General anomaly corrections such as ImzmlConverter now supports processing DESI Xevo MRT data.

Quantitative analysis software available on our core Xevo tandem quadrupole family of mass spectrometers and Xevo MRT Product Range, enabling laboratories to process large sample batches quickly and easily, significantly reducing the time spent on data review. Maximize your productivity with a compliant-ready workflow for analytical methodologies ranging from PFAS to genotoxic impurity analysis.

Biopharmaceutical accurate mass applications for protein-based therapeutics, vaccines, and nucleic acid-based therapeutics.

Bioprocess accurate mass applications for process (spent cell culture media) and product quality attribute monitoring with the BioAccord LC-MS system and Bioprocess Walk-Up Solutions.

Achieve precise mass measurement of challenging large and highly heterogeneous biologics including viral vectors, virus-like particles (VLPs), RNA, and protein complexes that were previously out of reach for mass characterization.

Accurate mass-based solutions for targeted and non-targeted screening of small molecules, offering versatile qualitative and quantitative analysis of compounds such as pesticides, drugs of abuse, metabolites, impurities, extractables and leachables, and identification of contaminants like polymers, PFAS, and PCBs in complex samples.

Accurate mass-based metabolomics, lipidomics and metabolite identification solutions with integration with 3rd Party software (via .mzML and/or via API)

Generate molecular spatial information directly from surfaces with Mass Spectrometry Imaging and the powerful integration of DESI XS with Xevo MRT MS.

Operating System
Windows

Requirements

• OS language: English (US), Japanese (Japan).

• Windows images provided with waters_connect PCs include Windows IoT Enterprise licensing which enables extended support on the operating system end of service over the standard edition. For more information on Windows releases visit https://learn.microsoft.com/en-us/windows/release-health/

Versions Supported
Workstation PC

• Windows 10 Enterprise LTSC 2021 edition (version 21H2)

• Windows 10 Enterprise IoT LTSC 2021 edition (version 21H2)

• Windows 11 Enterprise LTSC 2024 edition (version 24H2)

• Windows 11 Enterprise IoT LTSC 2024 edition (version 24H2)

• Windows 11 Pro version 24H2

Operating System
Windows

Requirements

• OS language: English (US), Japanese (Japan). Note: for Client PCs only the software deployment is supported on European and Japanese language versions of Windows.  However, Hub is displayed in English (US) or Japanese (Japan) only.

• Windows images provided with waters_connect PCs include Windows IoT Enterprise licensing which enables extended support on the operating system end of service over the standard edition. For more information on Windows releases visit https://learn.microsoft.com/en-us/windows/release-health/

Versions Supported